| SpectraBase Spectrum ID |
1btRPsY9WYr |
| Name |
(4aS,5R,6S,8aS)-5-(2,5-dimethoxybenzyl)-5,6,8a-trimethyl-decalin-1-one |
| Alternate Name(s) |
(4aS,5R,6S,8aS)-5-[(2,5-dimethoxyphenyl)methyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
(4aS,5R,6S,8aS)-5-[(2,5-dimethoxyphenyl)methyl]-5,6,8a-trimethyl-decalin-1-one |
| CAS Registry Number |
80765-07-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H32O3 |
| InChI |
InChI=1S/C22H32O3/c1-15-11-12-21(2)19(7-6-8-20(21)23)22(15,3)14-16-13-17(24-4)9-10-18(16)25-5/h9-10,13,15,19H,6-8,11-12,14H2,1-5H3/t15-,19+,21-,22+/m0/s1 |
| InChIKey |
RJOQSNKLSLXHIN-YWASFDNLSA-N |
| Molecular Weight |
344.495 g/mol |
| SMILES |
[C@]1([C@]2([C@](C(=O)CCC2)(C)CC[C@@]1(C)[H])[H])(Cc1c(ccc(c1)OC)OC)C |
| SPLASH |
splash10-0udl-0908000000-27628cbe04e8eccf0e8a |
| Source of Spectrum |
J-47-1731-0 |
| Wiley ID |
1338257 |
